3,4,5-triethoxy-N-[[phenyl(pyridin-4-yl)methylidene]amino]benzamide

C25H27N3O4 — CID 4105259

IUPAC3,4,5-triethoxy-N-[[phenyl(pyridin-4-yl)methylidene]amino]benzamide
SMILESCCOc1cc(C(=O)NN=C(c2ccccc2)c2ccncc2)cc(OCC)c1OCC
InChIInChI=1S/C25H27N3O4/c1-4-30-21-16-20(17-22(31-5-2)24(21)32-6-3)25(29)28-27-23(18-10-8-7-9-11-18)19-12-14-26-15-13-19/h7-17H,4-6H2,1-3H3,(H,28,29)
InChIKeyQZFJFDSQWQGVED-UHFFFAOYSA-N
MW433.51 g/mol
LogP4.46
Rot. Bonds10

About 3,4,5-triethoxy-N-[[phenyl(pyridin-4-yl)methylidene]amino]benzamide

3,4,5-triethoxy-N-[[phenyl(pyridin-4-yl)methylidene]amino]benzamide (PubChem CID 4105259) has the molecular formula C25H27N3O4 and a molecular weight of 433.51 g/mol. Its IUPAC name is 3,4,5-triethoxy-N-[[phenyl(pyridin-4-yl)methylidene]amino]benzamide.

Molecular Properties

Compound Name3,4,5-triethoxy-N-[[phenyl(pyridin-4-yl)methylidene]amino]benzamide
PubChem CID4105259
Molecular FormulaC25H27N3O4
Molecular Weight433.51 g/mol
Exact Mass433.20
IUPAC Name3,4,5-triethoxy-N-[[phenyl(pyridin-4-yl)methylidene]amino]benzamide
SMILESCCOc1cc(C(=O)NN=C(c2ccccc2)c2ccncc2)cc(OCC)c1OCC
InChIInChI=1S/C25H27N3O4/c1-4-30-21-16-20(17-22(31-5-2)24(21)32-6-3)25(29)28-27-23(18-10-8-7-9-11-18)19-12-14-26-15-13-19/h7-17H,4-6H2,1-3H3,(H,28,29)
InChIKeyQZFJFDSQWQGVED-UHFFFAOYSA-N
XLogP4.46
TPSA82.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3,4,5-triethoxy-N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide
CID 4059850
3,4,5-triethoxy-N-[(Z)-1-pyridin-3-ylethylideneamino]benzamide
CID 6036284
3-methyl-N-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]benzamide
CID 6522388
3-bromo-N-[(Z)-[phenyl(pyridin-4-yl)methylidene]amino]benzamide
CID 6872195
2-methoxy-N-[[phenyl(pyridin-4-yl)methylidene]amino]benzamide;hydrochloride
CID 88671183
N-[(2-ethoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 690991
2-ethoxy-N-[(Z)-1-pyridin-4-ylethylideneamino]benzamide
CID 142204372
3,4,5-triethoxy-N-[N-phenyl-N'-(pyridin-4-ylmethyl)carbamimidoyl]benzamide
CID 50771309
3,4,5-triethoxy-N-[1-(4-methylphenyl)propylideneamino]benzamide
CID 4109578
3,4,5-triethoxy-N-[(E)-pentan-2-ylideneamino]benzamide
CID 19685354
N-[(Z)-[phenyl(pyridin-4-yl)methylidene]amino]naphthalene-1-carboxamide
CID 7256390
4-nitro-N-[(Z)-[phenyl(pyridin-4-yl)methylidene]amino]benzamide
CID 5409142

Frequently Asked Questions

What is the IUPAC name of 3,4,5-triethoxy-N-[[phenyl(pyridin-4-yl)methylidene]amino]benzamide?
The IUPAC name of 3,4,5-triethoxy-N-[[phenyl(pyridin-4-yl)methylidene]amino]benzamide (CID 4105259) is 3,4,5-triethoxy-N-[[phenyl(pyridin-4-yl)methylidene]amino]benzamide.
What is the SMILES notation for 3,4,5-triethoxy-N-[[phenyl(pyridin-4-yl)methylidene]amino]benzamide?
The canonical SMILES for 3,4,5-triethoxy-N-[[phenyl(pyridin-4-yl)methylidene]amino]benzamide is CCOc1cc(C(=O)NN=C(c2ccccc2)c2ccncc2)cc(OCC)c1OCC.
What is the InChIKey of 3,4,5-triethoxy-N-[[phenyl(pyridin-4-yl)methylidene]amino]benzamide?
The InChIKey is QZFJFDSQWQGVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4/c1-4-30-21-16-20(17-22(31-5-2)24(21)32-6-3)25(29)28-27-23(18-10-8-7-9-11-18)19-12-14-26-15-13-19/h7-17H,4-6H2,1-3H3,(H,28,29).
What are the key properties of 3,4,5-triethoxy-N-[[phenyl(pyridin-4-yl)methylidene]amino]benzamide?
3,4,5-triethoxy-N-[[phenyl(pyridin-4-yl)methylidene]amino]benzamide has a molecular weight of 433.51 g/mol, XLogP of 4.46, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-triethoxy-N-[[phenyl(pyridin-4-yl)methylidene]amino]benzamide is sourced from PubChem (CID 4105259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).